2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide

C11H11F2N3O2S — CID 75393102

IUPAC2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2cn[nH]c2C)cc1F
InChIInChI=1S/C11H11F2N3O2S/c1-6-3-9(13)11(4-8(6)12)19(17,18)16-10-5-14-15-7(10)2/h3-5,16H,1-2H3,(H,14,15)
InChIKeyVCTIUKGNAYVIKX-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.11
Rot. Bonds3

About 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide

2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 75393102) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID75393102
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)Nc2cn[nH]c2C)cc1F
InChIInChI=1S/C11H11F2N3O2S/c1-6-3-9(13)11(4-8(6)12)19(17,18)16-10-5-14-15-7(10)2/h3-5,16H,1-2H3,(H,14,15)
InChIKeyVCTIUKGNAYVIKX-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 4-amino-5-(o-tolyl)-, p-toluenesulfonate
CID 24844194
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 53590861
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 53604317
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 53605180
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 53622736
4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 110270738
2-fluoro-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 43532703
5-(1,1,2,2,3,3-Hexafluoropropyl)-4-(p-tolylsulfonyl)-1h-pyrazole
CID 129795002
3-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 785585
1-[(4-Ethylphenyl)sulfonyl]-3-methylpyrazole
CID 42588626
1-(4-Fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 1094931
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 43547453

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide (CID 75393102) is 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)Nc2cn[nH]c2C)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is VCTIUKGNAYVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-6-3-9(13)11(4-8(6)12)19(17,18)16-10-5-14-15-7(10)2/h3-5,16H,1-2H3,(H,14,15).
What are the key properties of 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 75393102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).